BDBM172455 US9090625, 7::US9260450, 7::US9938289, 7

SMILES: Cc1cnn(c1-c1cc2cnccc2s1)-c1cccc(C)n1

InChI Key: InChIKey=VRQZQTWWFHBPNK-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 172455   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM172455 (US9090625, 7 | US9260450, 7 | US9938289, 7) Show SMILES Cc1cnn(c1-c1cc2cnccc2s1)-c1cccc(C)n1 Show InChI InChI=1S/C17H14N4S/c1-11-9-19-21(16-5-3-4-12(2)20-16)17(11)15-8-13-10-18-7-6-14(13)22-15/h3-10H,1-2H3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.65	n/a	n/a	n/a	n/a	n/a	n/a
THESAN PHARMACEUTICALS, INC. US Patent					Assay Description Pharmacol 2002, 62 58-62) The compounds named in the specified Examples were tested as follows for inhibition of ALK-5 autophosphorylation activity a...				US Patent US9090625 (2015) BindingDB Entry DOI: 10.7270/Q2BG2MRM
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM172455 (US9090625, 7 | US9260450, 7 | US9938289, 7) Show SMILES Cc1cnn(c1-c1cc2cnccc2s1)-c1cccc(C)n1 Show InChI InChI=1S/C17H14N4S/c1-11-9-19-21(16-5-3-4-12(2)20-16)17(11)15-8-13-10-18-7-6-14(13)22-15/h3-10H,1-2H3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.65	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company					Assay Description ALK-5 kinase assay methods have been described in the art (see e.g., Laping et al. (2002) Mol. Pharmacol. 2002; 62: 58-62). The compounds named in th...				Bioorg Med Chem 17: 284-94 (2009) BindingDB Entry DOI: 10.7270/Q25M682V
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM172455 (US9090625, 7 | US9260450, 7 | US9938289, 7) Show SMILES Cc1cnn(c1-c1cc2cnccc2s1)-c1cccc(C)n1 Show InChI InChI=1S/C17H14N4S/c1-11-9-19-21(16-5-3-4-12(2)20-16)17(11)15-8-13-10-18-7-6-14(13)22-15/h3-10H,1-2H3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	35.9	n/a	n/a	n/a	n/a	n/a	n/a
THESAN PHARMACEUTICALS, INC. US Patent					Assay Description ALK-5 gene reporter assay methods have been described in the art (see e.g., Maliekal et al. (2004) J Biol Chem 279(35):36287-36292). The compounds na...				US Patent US9260450 (2016) BindingDB Entry DOI: 10.7270/Q2M32TM0
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM172455 (US9090625, 7 | US9260450, 7 | US9938289, 7) Show SMILES Cc1cnn(c1-c1cc2cnccc2s1)-c1cccc(C)n1 Show InChI InChI=1S/C17H14N4S/c1-11-9-19-21(16-5-3-4-12(2)20-16)17(11)15-8-13-10-18-7-6-14(13)22-15/h3-10H,1-2H3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.65	n/a	n/a	n/a	n/a	7.6	4
THESAN PHARMACEUTICALS, INC. US Patent					Assay Description In a 96 well filter-bottom plate (Millipore, #MSDV N6B 50), 58 ul Assay Buffer (50 mM HEPES, pH 7.6, with 10 mM NaCl, 10 mM MgCl2, and 1 mM DTT ) is ...				US Patent US9260450 (2016) BindingDB Entry DOI: 10.7270/Q2M32TM0
					More data for this Ligand-Target Pair